7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C46H26N2O — CID 118301044

IUPAC7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2n(-c2ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc2)c31
InChIInChI=1S/C46H26N2O/c1-2-11-30-29(10-1)34-15-9-16-35-45(34)38(30)25-39-32-13-4-7-18-41(32)48(46(35)39)28-22-20-27(21-23-28)47-40-17-6-3-12-31(40)36-24-37-33-14-5-8-19-43(33)49-44(37)26-42(36)47/h1-26H
InChIKeyRHJNXBOFBJIWDI-UHFFFAOYSA-N
MW622.73 g/mol
LogP12.58
Rot. Bonds2

About 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 118301044) has the molecular formula C46H26N2O and a molecular weight of 622.73 g/mol. Its IUPAC name is 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID118301044
Molecular FormulaC46H26N2O
Molecular Weight622.73 g/mol
Exact Mass622.20
IUPAC Name7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2n(-c2ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc2)c31
InChIInChI=1S/C46H26N2O/c1-2-11-30-29(10-1)34-15-9-16-35-45(34)38(30)25-39-32-13-4-7-18-41(32)48(46(35)39)28-22-20-27(21-23-28)47-40-17-6-3-12-31(40)36-24-37-33-14-5-8-19-43(33)49-44(37)26-42(36)47/h1-26H
InChIKeyRHJNXBOFBJIWDI-UHFFFAOYSA-N
XLogP12.58
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
10-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 121386084
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 118581027
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522
16-(4-fluoranthen-3-ylphenyl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 118580874
3-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 149096382
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 118301044) is 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2n(-c2ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc2)c31.
What is the InChIKey of 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RHJNXBOFBJIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O/c1-2-11-30-29(10-1)34-15-9-16-35-45(34)38(30)25-39-32-13-4-7-18-41(32)48(46(35)39)28-22-20-27(21-23-28)47-40-17-6-3-12-31(40)36-24-37-33-14-5-8-19-43(33)49-44(37)26-42(36)47/h1-26H.
What are the key properties of 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 622.73 g/mol, XLogP of 12.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 118301044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).